2,3-Dihydrothieno(3,4-b)(1,4)dioxine-5-carboxylic acid
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Grundinformationen
- CAS
260063-21-6- Standard-SMILES
O=C(O)c1scc2c1OCCO2- InChIKey
DCCRIIFBJZOPAV-UHFFFAOYSA-N- Summenformel
- C7H6O4S
- Durchschnittliche Molmasse
- 186,19 g/mol
- Monoisotopische Masse
- 185,99867984
Namen und Bezeichner
- Bevorzugter Name
- 2,3-Dihydrothieno(3,4-b)(1,4)dioxine-5-carboxylic acid
- IUPAC
- 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid
- Englischer Name
- 2,3-Dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid
- Summenformel
- C7H6O4S
- Molmasse
- 186.19
Namen und Synonyme
260063-21-62,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acidDTXSID004243432,3-Dihydrothieno(3,4-b)(1,4)dioxine-5-carboxylic acidRefChem:244896DTXCID30375177800-580-22H,3H-thieno[3,4-b][1,4]dioxine-5-carboxylic acid2,3-Dihydro-thieno[3,4-b][1,4]dioxine-5-carboxylic acidThieno[3,4-b]-1,4-dioxin-5-carboxylic acid, 2,3-dihydro-MFCD078011022H,3H-thiopheno[3,4-e]1,4-dioxane-5-carboxylic acid
Weitere Namen anzeigen
2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid(SALTDATA: FREE)
SCHEMBL1341232TQP0130DCCRIIFBJZOPAV-UHFFFAOYSA-NHMS1697O01Thieno[3,4-b]-1,4-dioxin-5-carboxylicacid, 2,3-dihydro-KKA06321SBB090393AKOS000558515
Datenbank-Bezeichner
- CAS
260063-21-6- PubChem CID
- 6483880
- DTXSID
DTXSID00424343- EC Number
- 800-580-2
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 84 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 196
Physikochemische Eigenschaften
- Schmelzpunkt
- 205 °C · 205 °C
- Siedepunkt
- 352.8 · 352.8±42.0 °C(Predicted)
- Dichte
- 1.546 · 1.546±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 4.31 · 4.31±0.20(Predicted)
- Aggregatzustand
- solid
- InChI
- 1S/C7H6O4S/c8-7(9)6-5-4(3-12-6)10-1-2-11-5/h3H,1-2H2,(H,8,9)
- InChIKey
- DCCRIIFBJZOPAV-UHFFFAOYSA-N
- SMILES
- OC(=O)c1scc2OCCOc12
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302+H312+H332 (95.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (97.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (97.6%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (97.6%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anbieter20 Anbieter
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
苏州拜傲克生物科技有限公司18626188356 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
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